Overview

Torx Analyze is an optional add-on module to the Torx Design platform that consolidates measured and theoretical assay data from multiple sources into a single, chemistry-aware workspace. It enables medicinal chemistry teams to merge internal experimental results with design information, visualize outcomes using configurable 2D and 3D plots, and present interactive views that inform decisions for the next DMTA cycle. Torx Analyze supports customizable plugins and integrations so teams can create personalized data sets and visualizations that link directly to individual compounds.

Features and Capabilities

• Data Integration & Consolidation: Combine measured assay data from multiple proprietary sources, internal databases and flat files into unified datasets linked to individual compounds, enabling a single, searchable view of experimental history.
• Assay–Design Merge: Merge latest assay results with design metadata in one click so chemists can view experimental outcomes alongside proposed design rationales and synthetic information.
• 2D and 3D Visual Analytics: View and compare compounds using 2D scatter plots, box plots, histograms and interactive 3D poses (docking/alignment) to highlight relationships between structure, physicochemical properties and activity.
• Customisable Plugins & Views: Create personalised, configurable panels and plugins to show the exact combination of calculated properties, assay results and 3D visualizations needed by your project team.
• Compound-centric Traceability: Associate consolidated datasets, batch or sample identifiers and experiment metadata to each molecule to preserve provenance and support auditable DMTA decisions.
• Interactive Presentation for Decision Meetings: Build sharable views and 3D plots that make it easy to present findings at review meetings and use visual evidence to prioritise next-round syntheses or assays.
• Seamless Torx Module Integration: Works as an add-on to Torx Design and integrates with Torx Make and Torx Test modules so data flows across Design–Make–Test–Analyze workflows without manual handoffs.
• Third-party Informatics Integrations: Supports API integrations to move data between Torx and external systems (e.g., registration or vault systems) for storage or downstream analysis.
• Scalability & Security: Built to scale with team and project size while maintaining configurable access controls for collaboration with internal and external partners.